Name: Name:5,5-dimethyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
Brand: Angene
SKU: AG01BY7N
Rating: 90 (10 reviews)

5,5-dimethyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid

CAS No.:

1468880-49-0

Catalog Number:

AG01BY7N

Molecular Formula:

C10H13NO3

Molecular Weight:

195.2151

Catalog Number:

AG01BY7N

Chemical Name:

5,5-dimethyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid

CAS Number:

1468880-49-0

Molecular Formula:

C10H13NO3

Molecular Weight:

195.2151

MDL Number:

MFCD23904720

IUPAC Name:

5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazole-3-carboxylic acid

InChI:

InChI=1S/C10H13NO3/c1-10(2)4-3-7-6(5-10)8(9(12)13)11-14-7/h3-5H2,1-2H3,(H,12,13)

InChI Key:

PIIRUPQVCHKAJS-UHFFFAOYSA-N

SMILES:

OC(=O)c1noc2c1CC(C)(C)CC2

Complexity:

252

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

195.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

195.218g/mol

Monoisotopic Mass:

195.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1